(R)-(+)-2-(α-methylmethanamine)-1H-benzimidazole - ≥98% , CAS No.163959-79-3

CAS: 163959-79-3 Cat. No.: R281543 Molecular Weight: 161.2 EC Number: 813-072-0 PubChem CID: 693233

GRADE & PURITY ≥98%

Synonyms

(R)-1-(1H-Benzo[d]imidazol-2-yl)ethan-1-amine | (R)-(+)-2-(a-Methylmethanamine)-1H-benzimidazole | (R)-alpha-Methyl-1H-benzimidazole-2-methanamine | (1S)-1-(1H-1,3-benzodiazol-2-yl)ethan-1-amine | SCHEMBL8330903 | (R)-(+)-2-(-Methylmethanamine)-1H-benzimi

Storage

Room temperature

Specifications

Synonyms

(R)-1-(1H-Benzo[d]imidazol-2-yl)ethan-1-amine | (R)-(+)-2-(a-Methylmethanamine)-1H-benzimidazole | (R)-alpha-Methyl-1H-benzimidazole-2-methanamine | (1S)-1-(1H-1, 3-benzodiazol-2-yl)ethan-1-amine | SCHEMBL8330903 | (R)-(+)-2-(-Methylmethanamine)-1H-benzimi

Specifications & Purity

≥98%

Legal Information

Sold under license from Enantiotech for research purposes \n\nonly. PCT/CN2008/073648, CN 200810038929. Enantiotech BIMAH Ligand Kit component.

Storage

Room temperature

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CC(C1=NC2=CC=CC=C2N1)N
• IUPAC Name: (1R)-1-(1H-benzimidazol-2-yl)ethanamine
• InChIKey: NXSULSSADMIWQD-ZCFIWIBFSA-N
• INCHI: 1S/C9H11N3/c1-6(10)9-11-7-4-2-3-5-8(7)12-9/h2-6H,10H2,1H3,(H,11,12)/t6-/m1/s1
• Isomeric SMILES: C[C@H](C1=NC2=CC=CC=C2N1)N
• PubChem CID: 693233
• Molecular Weight: 161.2

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzimidazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Benzimidazoles
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzimidazoles
• Alternative Parents: Aralkylamines Benzenoids Imidazoles Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Benzimidazole - Aralkylamine - Benzenoid - Heteroaromatic compound - Imidazole - Azole - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Primary aliphatic amine - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as benzimidazoles. These are organic compounds containing a benzene ring fused to an imidazole ring (five member ring containing a nitrogen atom, 4 carbon atoms, and two double bonds).
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: air sensitive
• Melt Point(°C): 188-190°C
• Molecular Weight: 161.200 g/mol
• XLogP3: 1.000
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 161.095 Da
• Monoisotopic Mass: 161.095 Da
• Topological Polar Surface Area: 54.700 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 160.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 1
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1